Product Name

  • Name

    Meclofenoxate hydrochloride

  • EINECS 222-975-3
  • CAS No. 3685-84-5
  • Article Data4
  • CAS DataBase
  • Density 1.3255 (rough estimate)
  • Solubility
  • Melting Point 133-135 °C
  • Formula C12H17Cl2NO3
  • Boiling Point 345.9 °C at 760 mmHg
  • Molecular Weight 294.178
  • Flash Point 163 °C
  • Transport Information
  • Appearance white crystal powder
  • Safety 26-36
  • Risk Codes 22-36/37/38
  • Molecular Structure Molecular Structure of 3685-84-5 (Meclofenoxate hydrochloride)
  • Hazard Symbols HarmfulXn
  • Synonyms Aceticacid, (4-chlorophenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (9CI);Acetic acid, (p-chlorophenoxy)-, 2-(dimethylamino)ethyl ester hydrochloride(6CI,8CI);2-(Dimethylamino)ethyl (p-chlorophenoxy)acetate hydrochloride;Acetic acid,2-(4-chlorophenoxy)-, 2-(dimethylamino)ethyl ester, hydrochloride (1:1);Acephen;Brenal;Cellative;Centrophenoxine;Centrophenoxinehydrochloride;Cerutil;Dimethylaminoethyl 4-chlorophenoxyacetatehydrochloride;Dimethylaminoethyl p-chlorophenoxyacetate hydrochloride;Helfergin;Lucidril;Lucidryl hydrochloride;Marucotol;Methocynal;Proserout;
  • PSA 38.77000
  • LogP 2.62560

Synthetic route

2-(N,N-dimethylamino)ethanol
108-01-0

2-(N,N-dimethylamino)ethanol

4-chlorophenyloxyacetyl chloride
4122-68-3

4-chlorophenyloxyacetyl chloride

meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

Conditions
ConditionsYield
In chloroform90%
With benzene Behandeln des Reaktionsprodukts mit Chlorwasserstoff in Aether und Aceton;
Stage #1: 2-(N,N-dimethylamino)ethanol; 4-chlorophenyloxyacetyl chloride In dichloromethane at 20℃; Green chemistry;
Stage #2: With hydrogenchloride In ethyl acetate Solvent; Green chemistry;		68 g
4-Chlorophenoxyacetic acid
122-88-3

4-Chlorophenoxyacetic acid

meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: SOCl2
2: benzene / Behandeln des Reaktionsprodukts mit Chlorwasserstoff in Aether und Aceton
View Scheme
Multi-step reaction with 2 steps
1: thionyl chloride / 2 h / 75 °C
2: chloroform
View Scheme
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

meclofenoxate
51-68-3

meclofenoxate

Conditions
ConditionsYield
With triethylamine In chloroform78%
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

A

2-(N,N-dimethylamino)ethanol
108-01-0

2-(N,N-dimethylamino)ethanol

B

4-Chlorophenoxyacetic acid
122-88-3

4-Chlorophenoxyacetic acid

Conditions
ConditionsYield
With water In various solvent(s) at 25℃; for 8h; Rate constant; pH=5.5; effect of pH, buffer and human serum albumin concentration on hydrolysis;
With water Product distribution; Ambient temperature; in gastric medium; other medium;
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

A

4-Chlorophenoxyacetic acid
122-88-3

4-Chlorophenoxyacetic acid

B

2-(N,N-dimethylamino)ethanol hydrochloride
2498-25-1

2-(N,N-dimethylamino)ethanol hydrochloride

Conditions
ConditionsYield
With water at 60℃; for 120h; Kinetics; educt as different commercial film coated tablets; var. temp.s, relative humidities, additives and reaction times;
With buffered to pH 3.9; water at 30℃; Rate constant; in the presence and absence of sodium bisulfite (SBS);
With water at 80℃; under 50 Torr; Rate constant; Kinetics; Mechanism; variation of humidity, temperature and pressure;
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C12H16ClNO4

C12H16ClNO4

Conditions
ConditionsYield
With potassium permanganate; sodium hydroxide In water at 25 - 30℃;
2,4,5,7-tetra-iodo-3',4',5',6'-tetrachlorofluorescein

2,4,5,7-tetra-iodo-3',4',5',6'-tetrachlorofluorescein

meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C12H16ClNO3*C20H4Cl4I4O5

C12H16ClNO3*C20H4Cl4I4O5

Conditions
ConditionsYield
In water for 0.133333h; pH=2.6;
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C22H37ClNO3(1+)*Br(1-)

C22H37ClNO3(1+)*Br(1-)

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: triethylamine / chloroform
2: acetone / 24 h / 55 °C
View Scheme
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C22H37ClNO3(1+)*C8H5Cl2O3(1-)

C22H37ClNO3(1+)*C8H5Cl2O3(1-)

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / chloroform
2: acetone / 24 h / 55 °C
3: sodium hydroxide / water / Heating
View Scheme
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C22H37ClNO3(1+)*C9H8ClO3(1-)

C22H37ClNO3(1+)*C9H8ClO3(1-)

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / chloroform
2: acetone / 24 h / 55 °C
3: sodium hydroxide / water / Heating
View Scheme
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C22H37ClNO3(1+)*C10H10ClO3(1-)

C22H37ClNO3(1+)*C10H10ClO3(1-)

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / chloroform
2: acetone / 24 h / 55 °C
3: sodium hydroxide / water / Heating
View Scheme
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C22H37ClNO3(1+)*C6H2Cl2NO2(1-)

C22H37ClNO3(1+)*C6H2Cl2NO2(1-)

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / chloroform
2: acetone / 24 h / 55 °C
3: sodium hydroxide / water / Heating
View Scheme
meclofenoxate hydrochloride
3685-84-5

meclofenoxate hydrochloride

C22H37ClNO3(1+)*C8H5Cl2O3(1-)

C22H37ClNO3(1+)*C8H5Cl2O3(1-)

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: triethylamine / chloroform
2: acetone / 24 h / 55 °C
3: sodium hydroxide / water / Heating
View Scheme

Meclofenoxate hydrochloride Chemical Properties

Structure of Acefen (CAS NO.3685-84-5):

IUPAC Name: 2-dimethylaminoethyl 2-(4-chlorophenoxy)acetate hydrochloride 
Empirical Formula: C12H17Cl2NO3
Molecular Weight: 294.1743 
EINECS: 222-975-3 
Flash Point: 163 °C
Enthalpy of Vaporization: 59.01 kJ/mol 
Melting Point: 133-135°C
Boiling Point: 345.9 °C at 760 mmHg
Vapour Pressure: 5.95E-05 mmHg at 25°C 
Synonyms of Acefen (CAS NO.3685-84-5): (p-Chlorophenoxy)acetic acid 2-(dimethylamino)ethyl ester hydrochloride ;
 Acephen ; Amipolen ; Centrofenoxin ; Centrophenoxine ; Centrophenoxine hydrochloride ; Dimethylaminoethyl 4-chlorophenoxyacetate hydrochloride ; Helfergin ; Meclofenoxate HCl ; Meclofenoxate hydrochloride ; Methoxynal ;
 Proserout ; p-Chlorphenoxyessigsaeure-beta-dimethylaminoaethylesters .

Meclofenoxate hydrochloride Toxicity Data With Reference

1.    

orl-rat LD50:865 mg/kg

     KSKZAN    Khimiya v Sel’skom Khozyaistve. Chemistry in Agriculture. 16 (2)(1978),59.
2.    

ipr-mus LD50:660 mg/kg

     NIIRDN    Drugs in Japan. Ethical Drugs. 6 (1982),814.
3.    

scu-mus LD50:1560 mg/kg

     NIIRDN    Drugs in Japan. Ethical Drugs. 6 (1982),814.
4.    

orl-mus LD50:1750 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 153 (1959),1914.
5.    

ipr-mus LD50:845 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 153 (1959),1914.
6.    

ivn-mus LD50:350 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 153 (1959),1914.
7.    

ivn-rbt LDLo:150 mg/kg

     CRSBAW    Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. 153 (1959),1914.

Meclofenoxate hydrochloride Safety Profile

Hazard Codes: HarmfulXn
Risk Statements: 22-36/37/38 
R22:Harmful if swallowed. 
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36 
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S36:Wear suitable protective clothing.
RTECS: AG0440000
Poison by intravenous route. Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits very toxic fumes of Cl−, NOx, and HCl.

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